methyl 5-(4-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-(4-chlorophenyl)-4-oxo-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 5-(4-chlorophenyl)-4-keto-2-thioxo-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C12H9ClN2O3S MolecularWeight: 296.72946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)NC(=S)N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C(=O)NC(=S)N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClN2O3S/c1-18-11(17)9-8(10(16)15-12(19)14-9)6-2-4-7(13)5-3-6/h2-5H,1H3,(H2,14,15,16,19)